Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.41 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.34 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8674604 | 0.92 | ACHE (0.41) | ACHEBCHECYP1A2TSHRGPR3 | |
| SCHEMBL6569469 | 0.87 | ACHE (0.40) | ACHEBCHECYP1A2TSHRGPR3 | |
| Bromide SCHEMBL8673699 | 0.85 | ACHE (0.46) | ACHEBCHECYP1A2TSHRGPR3 | |
| Iodide SCHEMBL8677405 | 0.85 | ACHE (0.46) | ACHEBCHECYP1A2TSHRGPR3 | |
| Hydrochloric Acid SCHEMBL8676695 | 0.81 | ACHE (0.46) | ACHEBCHECYP1A2TSHRGPR3 | |
| SCHEMBL6675793 | 0.80 | ACHE (0.43) | ACHEBCHECYP1A2TSHRGPR3 | |
| Hydrochloric Acid SCHEMBL8675605 | 0.79 | ACHE (0.44) | ACHEBCHEHTR2ACHRM2HTR1A | |
| Hydrochloric Acid SCHEMBL8674748 | 0.77 | ACHE (0.41) | ACHEBCHECYP1A2TSHRGPR3 | |
| SCHEMBL12259780 | 0.77 | CYP1A2 (0.42) | ACHEBCHECYP1A2TSHRGPR3 | |
| Hydrochloric Acid SCHEMBL8674744 | 0.77 | ACHE (0.41) | ACHEBCHECYP1A2TSHRGPR3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5712404-A | REACTION OF FULVENE TYPE COMPOUND, AN ALKALI METAL COMPOUND AND TRANSITION METAL COMPOUND FOR CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1998-01-27 | — | — | US | disclosed |